1. Install Gaussian 16

(1) Unzip the installer with command tar -xvf xxx.tbz.

(2) Move the decompressed folder to /home/wangzhe.

(3) Create the Scratch folder in /home/wangzhe/g16.

(4) Add following lines in .bashrc file:

export g16root=/home/wangzhe
export GAUSS_SCRDIR=/home/wangzhe/g16/Scratch
source /home/wangzhe/g16/bsd/g16.profile

(5) Create a Default.Route file including default CPU cores number and memory amount in /home/wangzhe/g16:

-M- 32GB
-P- 8

The settings in this file have a lower priority than the %mem and %nproc settings in the input file. Therefore, the -M- setting here is used only when %mem is not written in the input file, and the -P- setting here is used only when %nproc is not written in the input file (if you neither set -P- nor %nproc here, then the program uses only single-core computing. If you neither set -M- nor write %mem here, then the G09 uses up to 256MB of memory and the G16 uses up to 800MB of memory).

(6) In termial, go to /home/wangzhe/g16, execute chmod 750 -R * command.

2. Install GaussView 6

(1) Unzip the installer with command tar -xvf xxx.tbz.

(2) Move the decompressed folder to /home/wangzhe.

(3) Run sudo yum install csh (for Ubuntu: sudo apt-get install csh) to install csh.

(4) Add following lines in .bashrc file:

export GV_DIR=/home/wangzhe/gv/gview
export PATH="$PATH:/home/wangzhe/gv/gview"
alias gv=/home/wangzhe/gv/gview.sh

(5) Reboot the terminal window, run GaussView through command gv.

(6) If error shows there is no dynamic library, execute sudo yum install mesa-libGLU.x86_64 comand to install.